Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4092 7.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8228 7.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2362 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.5005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9959 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4559 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4559 5.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8694 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 7.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4959 7.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2786 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6875 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0964 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5053 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9142 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3230 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7320 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1408 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5497 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9586 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3675 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7764 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1852 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5941 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0030 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4119 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8208 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2297 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6448 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0537 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4626 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8714 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2803 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6893 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0981 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5070 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9158 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3248 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7337 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1425 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5515 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9603 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7095 9.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9509 9.0453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5588 9.7244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3128 9.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9621 9.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 8.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3797 9.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1373 9.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0714 9.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 9.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6008 9.2748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8468 9.4904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0882 9.2916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6960 9.9707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4500 9.7553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0994 9.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9392 9.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5169 9.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6872 10.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2087 9.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5084 10.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7328 8.7431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9788 8.9587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2202 8.7600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8281 9.4391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5821 9.2237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2314 9.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0713 8.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6490 8.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4066 9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3407 9.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6404 9.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9651 8.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2271 8.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6236 8.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8649 8.2115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1109 8.4271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3523 8.2284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9601 8.9075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7141 8.6920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3635 8.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2033 8.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7810 8.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9513 9.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4728 8.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7725 9.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9969 7.6799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2429 7.8955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4843 7.6967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0922 8.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8462 8.1604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4955 8.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3354 7.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9131 7.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 8.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6049 8.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9045 8.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2292 7.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4912 7.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8877 7.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 7.1483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3750 7.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6164 7.1651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2242 7.8442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9782 7.6288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6276 7.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4674 7.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 7.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2154 8.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7369 7.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 8.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 7.4007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7672 6.9175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4821 6.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7022 6.2688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3197 6.7522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9498 6.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 6.7924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 5.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4264 6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 7.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 7.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 6.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 6.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 6.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0547 7.0238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0618 6.3429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4070 6.1561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7966 5.5776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9315 6.3426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6145 6.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 6.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2858 5.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0256 5.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5863 6.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2360 9.6643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6967 10.2337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9426 10.4488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9508 11.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4901 10.6637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2913 11.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6032 9.8940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5288 10.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 11.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2442 10.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7832 11.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4276 9.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5575 9.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1336 9.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9275 11.0318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3883 11.6011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6342 11.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6423 12.6004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1816 12.0311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9829 12.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2948 11.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2204 12.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8596 12.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9358 11.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4747 12.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8821 11.2614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5416 10.6716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8828 10.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0631 10.6570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5685 11.2468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1310 11.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 10.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5383 10.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0631 10.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2273 11.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 112131 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 152153 1 0 0 0 0 152154 2 0 0 0 0 91141 1 0 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 158157 1 1 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 159164 1 0 0 0 0 155164 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 160165 1 0 0 0 0 149155 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 161166 1 0 0 0 0 M END > LMISSP0504BP03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O56 > 2508.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260934 > - > - > Active (generated by computational methods) > - $$$$